SCHEMBL16495481

SCHEMBL16495481

COC(=O)c1ccc(CNC(=O)c2ccc(-c3cccc(F)c3)nc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.59
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PRKAA2 P54646 1/20 0.49
HTR2C P28335 2/20 0.47
MCHR1 Q99705 2/20 0.47
GABRA5 P31644 2/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
STAMBP O95630 1/20 0.47
COPS5 Q92905 1/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
WNT3A P56704 2/20 0.46
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16495686 0.91 HPGDS (0.58) HPGDSKMT2ASTAMBPCOPS5
SCHEMBL16496190 0.89 HPGDS (0.61) HPGDSPRKAA2HTR2CMCHR1AKR1C4
SCHEMBL16495972 0.88 HPGDS (0.60) HPGDSMEN1KMT2ASMN1; SMN2STAMBP
SCHEMBL16495630 0.88 HPGDS (0.77) HPGDSPRKAA2COPS5ROCK1EPHX2
SCHEMBL16495980 0.87 HPGDS (0.59) HPGDSMEN1KMT2ASMN1; SMN2STAMBP
SCHEMBL16495417 0.87 HPGDS (0.61) HPGDSMEN1KMT2APRKAA2HTR2C
SCHEMBL16495855 0.87 HPGDS (0.61) HPGDSPRKAA2HTR2CMCHR1STAMBP
SCHEMBL16497295 0.87 HPGDS (0.60) HPGDSMEN1KMT2ASMN1; SMN2PRKAA2
SCHEMBL16495963 0.87 HPGDS (0.79) HPGDSMEN1KMT2ASMN1; SMN2EPHX2
SCHEMBL16495631 0.87 HPGDS (0.67) HPGDSPRKAA2HTR2CMCHR1ROCK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885MEN1 2257/4885KMT2A 3206/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.